TL;DR: Octanedioic acid, 2,2,7,7-tetramethyl- (CAS 16386-99-5) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,7,7-tetramethyloctanedioic acid
Also Known As: 2,2,7,7-Tetramethyloctanedioic acid, Maybridge1_002451, Octanedioic acid, 2,2,7,7-tetramethyl-, DivK1c_001203, 2,2,7,7-tetramethylsuberic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.15181 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 230.15181 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | CC(C)(CCCCC(C)(C)C(=O)O)C(=O)O |
| InChIKey | HTGDDXZLPDBWRI-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanedioic acid, 2,2,7,7-tetramethyl-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanedioic acid, 2,2,7,7-tetramethyl-. Following Lipinski's Rule of Five, Octanedioic acid, 2,2,7,7-tetramethyl- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Octanedioic acid, 2,2,7,7-tetramethyl- is 16386-99-5.
The molecular formula of Octanedioic acid, 2,2,7,7-tetramethyl- is C12H22O4.
The molecular weight of Octanedioic acid, 2,2,7,7-tetramethyl- is 230.15181 g/mol.
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